Commit abd1a21d authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1781 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent b67baddc

src/fix_gyration.cpp

+2 −2
Original line number Diff line number Diff line
@@ -42,8 +42,8 @@ FixGyration::FixGyration(LAMMPS *lmp, int narg, char **arg) : 
  }



  if (me == 0) {

    fprintf(fp,"Radius-of-gyration for group %s\n",group->names[igroup]);

    fprintf(fp,"TimeStep Rg\n");

    fprintf(fp,"# Radius-of-gyration for group %s\n",group->names[igroup]);

    fprintf(fp,"# TimeStep Rg\n");

  }

}

src/fix_msd.cpp

+2 −2
Original line number Diff line number Diff line
@@ -46,9 +46,9 @@ FixMSD::FixMSD(LAMMPS *lmp, int narg, char **arg) : 
  }



  if (me == 0) {

    fprintf(fp,"Mean-squared Displacement for group %s\n",

    fprintf(fp,"# Mean-squared Displacement for group %s\n",

	    group->names[igroup]);

    fprintf(fp,"TimeStep x y z total\n");

    fprintf(fp,"# TimeStep x y z total\n");

  }



  // perform initial allocation of atom-based array

src/fix_print.cpp

+1 −1
Original line number Diff line number Diff line
@@ -68,7 +68,7 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) : 


  // print header into file



  if (fp && me == 0) fprintf(fp,"Fix print output for fix %s\n",id);

  if (fp && me == 0) fprintf(fp,"# Fix print output for fix %s\n",id);



  copy = new char[MAXLINE];

  work = new char[MAXLINE];

src/fix_rdf.cpp

+2 −2
Original line number Diff line number Diff line
@@ -260,7 +260,7 @@ void FixRDF::end_of_step() 
    double constant = 4.0*PI / (3.0*domain->xprd*domain->yprd*domain->zprd);

    int irdf;



    fprintf(fp,"%s %d \n","TIMESTEP", update->ntimestep);

    fprintf(fp,"# Timestep %d\n",update->ntimestep);

    fprintf(fp,"%s","r");



    for (int i = 1; i <= atom->ntypes; i++)
@@ -300,7 +300,7 @@ void FixRDF::end_of_step() 


    if (update->ntimestep + nevery > update->endstep) {



      fprintf(fp,"%s \n","RUN AVERAGE");

      fprintf(fp,"# Run Average\n");

      fprintf(fp,"%s","r");



      for (int i = 1; i <= atom->ntypes; i++)

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